methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate

C17H19NO3 — CID 60694372

IUPACmethyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H19NO3/c1-18(12-13-7-6-8-14(11-13)20-2)16-10-5-4-9-15(16)17(19)21-3/h4-11H,12H2,1-3H3
InChIKeyDQQRYEHCTSCABX-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.12
Rot. Bonds5

About methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate

methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate (PubChem CID 60694372) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
PubChem CID60694372
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
SMILESCOC(=O)c1ccccc1N(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H19NO3/c1-18(12-13-7-6-8-14(11-13)20-2)16-10-5-4-9-15(16)17(19)21-3/h4-11H,12H2,1-3H3
InChIKeyDQQRYEHCTSCABX-UHFFFAOYSA-N
XLogP3.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
methyl 2-[(3-methoxyphenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 5244310
methyl 2-[(4-chloro-3-fluorophenyl)methyl-methylamino]benzoate
CID 107885982
methyl 2-[[2-(aminomethyl)-4-pyridinyl]methyl-methylamino]benzoate
CID 63888273
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 61417843
methyl 2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]benzoate
CID 102878528
(1S)-1-[2-[(3-methoxyphenyl)methyl-methylamino]phenyl]propan-1-ol
CID 103959837
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]benzoate
CID 63469902
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate?
The IUPAC name of methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate (CID 60694372) is methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate.
What is the SMILES notation for methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate?
The canonical SMILES for methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate is COC(=O)c1ccccc1N(C)Cc1cccc(OC)c1.
What is the InChIKey of methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate?
The InChIKey is DQQRYEHCTSCABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(12-13-7-6-8-14(11-13)20-2)16-10-5-4-9-15(16)17(19)21-3/h4-11H,12H2,1-3H3.
What are the key properties of methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate?
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate has a molecular weight of 285.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate is sourced from PubChem (CID 60694372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).